SCHEMBL1048009

SCHEMBL1048009

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(CS(=O)(=O)c3cccc4ccccc34)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CCR1 P32246 1/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SPR P35270 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1046922 0.89 GAA (0.40) GAACCR1TSHRLMNACYP1A2
SCHEMBL1774525 0.87 GAA (0.43) GAACCR1POLBTSHRMAPK14
SCHEMBL1045128 0.86 GAA (0.42) GAACCR1POLBTSHRMAPK14
SCHEMBL1046923 0.85 GAA (0.40) GAACCR1POLBTSHRKDM4E
SCHEMBL1044102 0.84 GAA (0.40) GAACCR1POLBTSHRMAPK14
SCHEMBL1046420 0.83 GAA (0.40) GAACCR1POLBTSHRKDM4E
SCHEMBL1046764 0.82 GAA (0.48) GAACCR1POLBTSHRKDM4E
SCHEMBL13523714 0.82 GAA (0.50) GAACCR1POLBTSHRKDM4E
SCHEMBL1775261 0.82 POLB (0.46) GAACCR1POLBTSHRKDM4E
SCHEMBL1773829 0.81 GAA (0.42) GAACCR1POLBTSHRMAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090477-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-04-11 US disclosed
US-20130090476-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-04-11 US disclosed
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-02-24 US disclosed
EP-2272846-A1 Thiazolylpiperidine derivatives as fungicide Bayer CropScience AG (DE) 2011-01-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130090476-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG GAA 70/4885CCR1 2185/4885POLB 4479/4885
US-20130090477-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG GAA 70/4885CCR1 2185/4885POLB 4479/4885
US-20110046178-A1 Thiazolylpiperidine Derivatives as Fungicides NAT1, GRHPR, PTPRG GAA 70/4885CCR1 2185/4885POLB 4479/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.